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  1. Third-Parties
  2. MatprojStructure
  3. mp-1201331

Entry Data

Table mix-ins: ['Structure', 'Thermodynamics'] Extra columns: ['energy_uncorrected', 'band_gap', 'is_gap_direct', 'is_magnetic', 'total_magnetization', 'is_theoretical']

Base Information:

  • Database Entry ID: mp-1201331
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 232
  • Number of elements: 5
  • Element list: ['Si', 'B', 'H', 'C', 'N']
  • Chemical System: B-C-H-N-Si
  • Density: 0.8279304949592635
  • Atomic Density: 0.08783118308875906
  • Unit Cell Volume: 2641.430888680494
  • Molar Volume: 6.856495094588718
  • Full Formula: Si8 B8 H148 C48 N20
  • Reduced Formula: Si2B2H37C12N5
  • Formula Anonymous: A2B2C5D12E37
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -1275.39193213
  • Final energy per atom: -5.497379017801724
  • Energy above hull: None
  • Is thermodynamically stable?: None
  • Decomposes to: None
  • Formation energy None
  • Formation energy per atom: None
Note: stabilities and hull energies are updated on a running schedule, so newer materials may have these fields blank.